Crystallography Open Database

Information card for entry 4112964

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Coordinates	4112964.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H100 Sn2
Calculated formula	C74 H100 Sn2
SMILES	C1(=C2c3ccccc3c3ccccc23)[Sn](c2c(cc(cc2C(C)C)C(C)C)C(C)C)(c2c(cc(cc2C(C)C)C(C)C)C(C)C)[Sn]1(c1c(cc(cc1C(C)C)C(C)C)C(C)C)c1c(cc(cc1C(C)C)C(C)C)C(C)C
Title of publication	A Stable Distannirane
Authors of publication	Lise Baiget; Henri Ranaivonjatovo; Jean Escudié; Heinz Gornitzka
Journal of publication	Journal of the American Chemical Society
Year of publication	2004
Journal volume	126
Pages of publication	11792 - 11793
a	13.917 ± 0.006 Å
b	14.869 ± 0.006 Å
c	17.83 ± 0.008 Å
α	111.866 ± 0.012°
β	90.764 ± 0.009°
γ	103.946 ± 0.01°
Cell volume	3301 ± 2 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	3
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1202
Residual factor for significantly intense reflections	0.0679
Weighted residual factors for significantly intense reflections	0.1438
Weighted residual factors for all reflections included in the refinement	0.1651
Goodness-of-fit parameter for all reflections included in the refinement	1.022
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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